methyl 3-carbamimidoyl-4-[3-[1-(3-methoxy-3-oxidanylidene-propyl)piperidin-4-yl]-2-oxidanylidene-imidazolidin-1-yl]benzoate

Systemtic Name: methyl 3-carbamimidoyl-4-[3-[1-(3-methoxy-3-oxidanylidene-propyl)piperidin-4-yl]-2-oxidanylidene-imidazolidin-1-yl]benzoate Openeye Name: methyl 3-carbamimidoyl-4-[3-[1-(3-methoxy-3-oxo-propyl)-4-piperidyl]-2-oxo-imidazolidin-1-yl]benzoate CAS Name: 3-carbamimidoyl-4-[3-[1-(3-methoxy-3-oxopropyl)-4-piperidinyl]-2-oxo-1-imidazolidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-[3-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]-2-oxoimidazolidin-1-yl]benzoate Traditional Name: 3-amidino-4-[2-keto-3-[1-(3-keto-3-methoxy-propyl)-4-piperidyl]imidazolidin-1-yl]benzoic acid methyl ester Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCC(CC1)N2CCN(C2=O)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

Isomeric SMILES

COC(=O)CCN1CCC(CC1)N2CCN(C2=O)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

InChI

InChI=1S/C21H29N5O5/c1-30-18(27)7-10-24-8-5-15(6-9-24)25-11-12-26(21(25)29)17-4-3-14(20(28)31-2)13-16(17)19(22)23/h3-4,13,15H,5-12H2,1-2H3,(H3,22,23)